1,1'-[(4-Ethynylphenyl)methylene]bis(3,6-di-tert-butylazulene)

Base Information

Chemical Name:1,1'-[(4-Ethynylphenyl)methylene]bis(3,6-di-tert-butylazulene)
CAS No.:923019-00-5
Molecular Formula:C45H52
Molecular Weight:592.908
Hs Code.:
DSSTox Substance ID:DTXSID90582800

Synonyms:923019-00-5;DTXSID90582800;1,1'-[(4-Ethynylphenyl)methylene]bis(3,6-di-tert-butylazulene)

Suppliers and Price of 1,1'-[(4-Ethynylphenyl)methylene]bis(3,6-di-tert-butylazulene)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,1'-[(4-Ethynylphenyl)methylene]bis(3,6-di-tert-butylazulene)

Chemical Property:

XLogP3:14.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:8
Exact Mass:592.406901659
Heavy Atom Count:45
Complexity:949

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(C3=CC=C(C=C3)C#C)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

Technology Process of 1,1'-[(4-Ethynylphenyl)methylene]bis(3,6-di-tert-butylazulene)

There total 1 articles about 1,1'-[(4-Ethynylphenyl)methylene]bis(3,6-di-tert-butylazulene) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.0%

: 63697-96-1
4-Ethynylbenzaldehyde

: 154678-31-6
1,6-di-tert-butyl-azulene

: 923019-00-5
bis(3,6-di-tert-butyl-1-azulenyl)(4-ethynylphenyl)methane

Guidance literature:: With acetic acid; at 20 ℃; for 24h;
DOI:10.1021/jo0618324

Reference yield: 64.0%

: 923019-00-5
bis(3,6-di-tert-butyl-1-azulenyl)(4-ethynylphenyl)methane

: 591-50-4
iodobenzene

: 923019-09-4
bis(3,6-di-tert-butyl-1-azulenyl)[4-(phenylethynyl)phenyl]methane

: 4,4'-bis[bis(3,6-di-tert-butyl-1-azulenyl)methyl]diphenyldiacetylene

Guidance literature:: With copper(l) iodide; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 20 ℃; for 24h;
DOI:10.1021/jo0618324

Reference yield:

: 923019-00-5
bis(3,6-di-tert-butyl-1-azulenyl)(4-ethynylphenyl)methane

: bis(3,6-di-tert-butyl-1-azulenyl)[4-(phenylethynyl)phenyl]methylium hexafluorophosphate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 64 percent / CuI; triethylamine / tetrakis(triphenylphosphine)palldium⁽⁰⁾ / toluene / 24 h / 20 °C

2.1: DDQ / CH₂Cl₂ / 0.5 h / 20 °C

2.2: 87 percent / HPF₆ / CH₂Cl₂; H₂O / 0.25 h / 20 °C

With copper(l) iodide; triethylamine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In dichloromethane; toluene; 1.1: Sonogashira cross-coupling;
DOI:10.1021/jo0618324